3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Chemical Structure Depiction of
3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y512-4431 |
| Compound Name: | 3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide |
| Molecular Weight: | 546.46 |
| Molecular Formula: | C22 H20 Br N5 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(NC(/C=C/c2ccc(cc2)[Br])=O)=S)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.278 |
| logD: | 3.796 |
| logSw: | -4.324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.99 |
| InChI Key: | HEFZEJUAANXEMZ-UHFFFAOYSA-N |